4-[(5-methoxy-3-propan-2-ylsulfanyl-1-benzothiophen-2-yl)carbonylamino]-2-methyl-benzoate

Systemtic Name: 4-[(5-methoxy-3-propan-2-ylsulfanyl-1-benzothiophen-2-yl)carbonylamino]-2-methyl-benzoate Openeye Name: 4-[(3-isopropylsulfanyl-5-methoxy-benzothiophene-2-carbonyl)amino]-2-methyl-benzoate CAS Name: 4-[[[5-methoxy-3-(propan-2-ylthio)-1-benzothiophen-2-yl]-oxomethyl]amino]-2-methylbenzoate IUPAC Name: 4-[(5-methoxy-3-propan-2-ylsulfanyl-1-benzothiophene-2-carbonyl)amino]-2-methylbenzoate Traditional Name: 4-[[3-(isopropylthio)-5-methoxy-benzothiophene-2-carbonyl]amino]-2-methyl-benzoate Formula: C21H20NO4S2- MolecularWeight: 414.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C3=C(S2)C=CC(=C3)OC)SC(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C3=C(S2)C=CC(=C3)OC)SC(C)C)C(=O)[O-]

InChI

InChI=1S/C21H21NO4S2/c1-11(2)27-18-16-10-14(26-4)6-8-17(16)28-19(18)20(23)22-13-5-7-15(21(24)25)12(3)9-13/h5-11H,1-4H3,(H,22,23)(H,24,25)/p-1